#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aby s GLN 2 N 0.00 0.68 0.01 3.17 2.00 -1.26 -5.16 119.66 119.10 2aby s GLN 2 Ca 0.00 -0.09 -0.18 0.00 -2.00 0.00 0.00 55.36 53.09 2aby s GLN 2 Cb 0.00 0.32 0.06 0.00 0.80 0.00 0.00 33.01 34.18 2aby s GLN 2 CO 0.00 -0.26 0.81 0.36 -0.50 0.00 0.00 175.29 175.70 2aby n LYS 3 N 0.19 0.17 -0.93 1.67 2.85 -1.26 -5.00 118.16 115.85 2aby n LYS 3 Ca -0.09 -0.59 0.00 0.00 -1.05 0.00 0.00 58.31 56.59 2aby n LYS 3 Cb 0.60 0.92 0.00 0.00 -0.65 0.00 0.00 35.03 35.90 2aby n LYS 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2aby n GLY 4 N -0.58 0.46 3.09 2.58 0.00 -1.26 -5.03 105.19 104.46 2aby n GLY 4 Ca 0.02 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 2aby n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aby s LEU 5 N 0.00 2.48 -0.23 0.99 2.01 -1.26 -3.97 118.68 118.70 2aby s LEU 5 Ca 0.00 -0.97 -0.09 0.00 0.01 0.00 0.00 54.13 53.08 2aby s LEU 5 Cb 0.00 0.16 -0.04 0.00 0.01 0.00 0.00 46.19 46.31 2aby s LEU 5 CO 0.00 -0.56 0.12 -1.61 1.01 0.00 0.00 176.35 175.31 2aby s GLU 6 N -3.76 3.96 0.00 1.70 8.01 -1.26 -3.65 118.70 123.69 2aby s GLU 6 Ca 0.06 -0.33 -0.03 0.00 0.01 0.00 0.00 54.97 54.68 2aby s GLU 6 Cb 0.07 -3.42 -0.01 0.00 -4.31 0.00 0.00 34.13 26.46 2aby s GLU 6 CO -0.09 0.05 0.05 0.96 0.01 0.00 0.00 175.26 176.24 2aby s ILE 7 N 1.05 0.07 0.05 -1.63 -0.00 -0.39 -5.03 121.20 115.32 2aby s ILE 7 Ca 0.06 -0.56 0.07 0.00 -0.00 0.00 0.00 60.65 60.22 2aby s ILE 7 Cb -0.14 -0.26 -0.03 0.00 -0.00 0.00 0.00 42.46 42.03 2aby s ILE 7 CO 0.04 -0.31 -0.19 0.00 -0.00 0.00 0.00 174.94 174.48 2aby s ALA 8 N -0.97 1.65 -0.03 2.27 0.00 -1.26 -1.49 121.76 121.92 2aby s ALA 8 Ca -0.11 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 50.87 2aby s ALA 8 Cb -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2aby s ALA 8 CO 0.00 0.36 -0.19 0.12 0.00 0.00 0.00 175.76 176.04 2aby s PHE 9 N -0.86 1.82 0.03 0.00 5.36 -0.67 -4.81 117.98 118.85 2aby s PHE 9 Ca 0.06 -0.42 0.04 0.00 -0.96 0.00 0.00 56.93 55.64 2aby s PHE 9 Cb -0.09 -1.19 -0.04 0.00 -0.34 0.00 0.00 43.02 41.37 2aby s PHE 9 CO 0.02 -0.09 -0.04 -1.14 -1.46 0.00 0.00 175.22 172.51 2aby s GLN 10 N -0.27 2.56 -0.21 10.12 -0.44 -1.26 -1.26 119.66 128.90 2aby s GLN 10 Ca 0.03 -0.75 -0.06 0.00 -2.50 0.00 0.00 55.36 52.08 2aby s GLN 10 Cb -0.09 -2.53 0.10 0.00 -1.64 0.00 0.00 33.01 28.84 2aby s GLN 10 CO 0.01 0.58 0.41 -0.08 0.50 0.00 0.00 175.29 176.71 2aby s THR 11 N -1.11 -0.65 0.00 -0.34 -1.32 -0.31 -5.01 115.64 106.91 2aby s THR 11 Ca 0.20 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2aby s THR 11 Cb -0.11 -0.70 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 2aby s THR 11 CO 0.11 0.04 0.00 2.30 -2.21 0.00 0.00 174.62 174.86 2aby n ILE 12 N 5.39 0.00 -3.05 5.08 -6.64 -1.26 -1.30 119.36 117.58 2aby n ILE 12 Ca -0.08 -0.16 0.00 0.00 -1.77 0.00 0.00 62.75 60.74 2aby n ILE 12 Cb 0.50 0.65 0.00 0.00 -1.44 0.00 0.00 39.64 39.34 2aby n ILE 12 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 2aby n ASN 13 N -1.18 0.00 -0.98 7.28 4.05 -1.26 -4.94 115.26 118.22 2aby n ASN 13 Ca 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.98 2aby n ASN 13 Cb 0.00 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.02 2aby n ASN 13 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2aby n GLY 14 N 0.00 0.52 2.44 8.20 0.00 -1.26 -3.30 105.19 111.79 2aby n GLY 14 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 2aby n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aby n LEU 15 N -1.24 -1.09 0.26 0.99 7.99 -1.26 -4.80 117.00 117.85 2aby n LEU 15 Ca -0.01 0.21 0.11 0.00 -0.01 0.00 0.00 56.01 56.30 2aby n LEU 15 Cb 0.52 -2.09 0.69 0.00 -0.11 0.00 0.00 43.42 42.44 2aby n LEU 15 CO 0.12 -0.13 0.99 0.44 -1.51 0.00 0.00 177.39 177.30 2aby h ASP 16 N 0.00 0.00 -1.01 -1.43 5.19 -1.97 -2.50 116.42 114.69 2aby h ASP 16 Ca -0.28 0.00 0.26 0.00 -0.62 0.00 0.00 57.03 56.39 2aby h ASP 16 Cb 1.20 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.63 2aby h ASP 16 CO 0.33 0.10 0.67 1.05 -3.12 0.00 0.00 179.24 178.27 2aby h GLU 17 N 0.00 0.32 -0.39 3.56 4.11 -1.87 0.14 114.58 120.44 2aby h GLU 17 Ca -0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 2aby h GLU 17 Cb 0.23 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2aby h GLU 17 CO 0.01 0.21 0.10 0.77 0.07 0.00 0.00 179.01 180.17 2aby h SER 18 N 0.33 0.59 -0.48 3.06 0.02 -1.83 -1.29 113.55 113.94 2aby h SER 18 Ca 0.55 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 2aby h SER 18 Cb 1.52 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 2aby h SER 18 CO -0.21 0.67 0.04 0.25 -1.14 0.00 0.00 176.83 176.43 2aby h LEU 19 N 0.49 0.80 0.08 5.07 6.46 -0.94 0.24 115.31 127.50 2aby h LEU 19 Ca 0.12 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2aby h LEU 19 Cb 0.30 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2aby h LEU 19 CO 0.00 0.89 -0.04 0.58 -0.62 0.00 0.00 178.44 179.25 2aby h VAL 20 N 0.69 0.95 -0.39 1.05 2.07 -1.11 0.40 116.25 119.90 2aby h VAL 20 Ca 0.14 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 2aby h VAL 20 Cb 0.45 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2aby h VAL 20 CO 0.02 0.02 -0.15 1.56 0.02 0.00 0.00 177.57 179.04 2aby h GLN 21 N -0.14 0.80 0.24 1.57 1.08 -1.20 -0.70 115.11 116.75 2aby h GLN 21 Ca -0.01 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 2aby h GLN 21 Cb 0.11 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2aby h GLN 21 CO 0.02 0.95 -0.11 0.00 -0.95 0.00 0.00 178.83 178.73 2aby h ALA 22 N 0.82 -0.32 -0.37 3.87 0.00 -0.41 -0.60 119.26 122.25 2aby h ALA 22 Ca 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2aby h ALA 22 Cb 0.69 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2aby h ALA 22 CO 0.05 -0.60 0.11 1.37 0.00 0.00 0.00 179.25 180.18 2aby h LEU 23 N -0.49 0.48 -0.76 0.00 8.10 -0.23 -1.45 115.31 120.97 2aby h LEU 23 Ca -0.03 -0.06 -0.12 0.00 0.11 0.00 0.00 57.88 57.77 2aby h LEU 23 Cb 0.37 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 2aby h LEU 23 CO 0.05 0.47 -0.40 0.00 -4.11 0.00 0.00 178.44 174.46 2aby h ALA 24 N 1.60 0.93 -0.09 0.17 0.00 -0.94 -1.49 119.26 119.43 2aby h ALA 24 Ca 0.13 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 2aby h ALA 24 Cb 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2aby h ALA 24 CO -0.01 0.63 -0.63 0.78 0.00 0.00 0.00 179.25 180.02 2aby h GLY 25 N 1.11 0.65 1.02 0.00 0.00 -0.46 -1.60 103.07 103.79 2aby h GLY 25 Ca 0.03 -0.97 -0.11 0.00 0.00 0.00 0.00 47.33 46.29 2aby h GLY 25 CO 0.07 0.86 -0.17 -0.24 0.00 0.00 0.00 176.54 177.06 2aby h VAL 26 N 0.22 1.28 -0.34 4.60 3.04 -1.28 -0.84 116.25 122.93 2aby h VAL 26 Ca -0.05 -1.30 -0.10 0.00 -1.01 0.00 0.00 66.70 64.24 2aby h VAL 26 Cb 1.28 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 31.82 2aby h VAL 26 CO 0.13 0.44 -0.17 0.00 -1.01 0.00 0.00 177.57 176.96 2aby h THR 27 N 0.64 1.29 -0.62 3.17 1.03 -1.34 0.21 112.91 117.29 2aby h THR 27 Ca 0.09 -1.28 -0.10 0.00 -0.01 0.00 0.00 66.41 65.11 2aby h THR 27 Cb 0.72 1.40 -0.02 0.00 -1.07 0.00 0.00 68.15 69.18 2aby h THR 27 CO 0.05 0.42 0.01 0.00 -0.01 0.00 0.00 175.52 175.99 2aby h ALA 28 N 0.78 0.84 -0.01 0.00 0.00 -1.27 -0.20 119.26 119.40 2aby h ALA 28 Ca 0.07 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 2aby h ALA 28 Cb 0.70 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2aby h ALA 28 CO 0.05 0.67 -0.88 1.03 0.00 0.00 0.00 179.25 180.12 2aby h SER 29 N 0.99 0.40 1.31 0.00 0.87 -1.10 -3.13 113.55 112.90 2aby h SER 29 Ca 0.18 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 2aby h SER 29 Cb 0.55 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2aby h SER 29 CO 0.03 1.10 -0.18 -0.78 -0.53 0.00 0.00 176.83 176.48 2aby h ASP 30 N 0.18 0.00 -2.78 6.23 3.58 -0.43 -3.35 116.42 119.85 2aby h ASP 30 Ca -0.06 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.71 2aby h ASP 30 Cb 1.51 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 42.19 2aby h ASP 30 CO 0.14 0.18 -0.12 0.49 -2.88 0.00 0.00 179.24 177.05 2aby n PHE 31 N -3.23 3.50 0.33 0.28 3.01 -0.10 -4.86 117.46 116.39 2aby n PHE 31 Ca 0.02 -3.81 0.15 0.00 1.01 0.00 0.00 57.45 54.81 2aby n PHE 31 Cb 0.49 -0.90 0.61 0.00 -0.01 0.00 0.00 39.48 39.67 2aby n PHE 31 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2aby h PRO 32 N 5.13 0.00 0.00 -1.08 0.13 -1.70 -2.73 132.00 131.74 2aby h PRO 32 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2aby h PRO 32 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2aby h PRO 32 CO 0.95 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.47 2aby n ASP 33 N -2.70 0.40 -0.73 1.44 9.92 -1.26 -4.83 116.55 118.79 2aby n ASP 33 Ca 0.01 0.62 -0.09 0.00 -0.53 0.00 0.00 54.79 54.80 2aby n ASP 33 Cb 0.26 -0.70 -0.04 0.00 -0.64 0.00 0.00 41.12 40.01 2aby n ASP 33 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2aby n LEU 34 N -1.97 -0.38 0.00 0.64 4.77 -1.03 -4.83 117.00 114.20 2aby n LEU 34 Ca 0.02 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.36 2aby n LEU 34 Cb 0.15 -2.18 0.63 0.00 -2.33 0.00 0.00 43.42 39.69 2aby n LEU 34 CO 0.14 -0.80 0.94 -0.67 -1.33 0.00 0.00 177.39 175.66 2aby n ASP 35 N -0.64 0.00 -4.66 -1.43 2.03 -1.26 -4.77 116.55 105.83 2aby n ASP 35 Ca -0.09 0.12 -0.43 0.00 0.52 0.00 0.00 54.79 54.91 2aby n ASP 35 Cb 0.46 -0.36 -0.02 0.00 -0.72 0.00 0.00 41.12 40.48 2aby n ASP 35 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2aby s ILE 36 N -2.73 4.19 -0.96 5.18 2.07 -1.26 -4.05 121.20 123.64 2aby s ILE 36 Ca 0.21 1.43 -0.02 0.00 -1.41 0.00 0.00 60.65 60.86 2aby s ILE 36 Cb 0.18 -3.96 0.29 0.00 0.13 0.00 0.00 42.46 39.09 2aby s ILE 36 CO 0.43 -0.17 1.23 0.29 -1.91 0.00 0.00 174.94 174.80 2aby n LYS 37 N 6.77 3.80 -4.67 3.50 4.76 0.31 -5.01 118.16 127.63 2aby n LYS 37 Ca 0.14 -4.58 -0.30 0.00 -2.87 0.00 0.00 58.31 50.71 2aby n LYS 37 Cb 0.45 -2.44 -0.09 0.00 -1.84 0.00 0.00 35.03 31.11 2aby n LYS 37 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2aby s TYR 38 N -2.54 2.01 -0.19 2.13 1.13 -1.26 -0.31 117.35 118.32 2aby s TYR 38 Ca 0.33 -0.95 -0.36 0.00 -1.41 0.00 0.00 57.07 54.69 2aby s TYR 38 Cb 0.06 -1.55 0.15 0.00 -1.10 0.00 0.00 41.96 39.52 2aby s TYR 38 CO 0.05 0.18 1.37 -0.80 -2.51 0.00 0.00 175.55 173.83 2aby s ASN 39 N -3.76 -0.03 -0.10 -0.18 -0.87 0.20 -4.97 114.94 105.23 2aby s ASN 39 Ca 0.18 -0.02 0.02 0.00 -1.57 0.00 0.00 52.86 51.47 2aby s ASN 39 Cb 0.04 0.04 0.01 0.00 -0.02 0.00 0.00 41.25 41.33 2aby s ASN 39 CO 0.09 -0.08 -0.15 -0.63 -2.57 0.00 0.00 177.10 173.77 2aby s ILE 40 N -2.12 1.42 0.08 0.60 1.01 -1.26 -1.32 121.20 119.60 2aby s ILE 40 Ca 0.13 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.22 2aby s ILE 40 Cb 0.02 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 2aby s ILE 40 CO -0.04 0.42 -0.16 0.72 0.00 0.00 0.00 174.94 175.88 2aby s PHE 41 N 0.89 1.37 -0.18 3.97 -0.12 -0.69 -1.75 117.98 121.47 2aby s PHE 41 Ca -0.09 -0.45 -0.04 0.00 -0.05 0.00 0.00 56.93 56.30 2aby s PHE 41 Cb -0.15 -0.76 -0.02 0.00 -0.63 0.00 0.00 43.02 41.45 2aby s PHE 41 CO 0.00 0.10 -0.03 -1.17 -0.05 0.00 0.00 175.22 174.07 2aby s LEU 42 N -1.77 3.16 -0.09 -1.99 1.98 0.17 -1.87 118.68 118.27 2aby s LEU 42 Ca 0.00 -0.21 -0.02 0.00 -2.89 0.00 0.00 54.13 51.01 2aby s LEU 42 Cb -0.10 -1.78 -0.03 0.00 0.66 0.00 0.00 46.19 44.94 2aby s LEU 42 CO 0.03 0.10 0.02 0.68 -1.89 0.00 0.00 176.35 175.28 2aby s VAL 43 N 0.78 4.45 -0.26 1.68 -7.23 0.01 -1.05 120.40 118.78 2aby s VAL 43 Ca -0.01 -0.19 -0.02 0.00 -1.81 0.00 0.00 61.98 59.94 2aby s VAL 43 Cb -0.14 -2.88 0.08 0.00 0.56 0.00 0.00 36.38 34.00 2aby s VAL 43 CO 0.02 0.60 0.08 1.51 -0.31 0.00 0.00 175.10 177.00 2aby s ASP 44 N -0.87 3.47 0.06 4.85 -4.77 -1.26 0.05 116.67 118.20 2aby s ASP 44 Ca 0.13 -1.23 -0.16 0.00 -3.30 0.00 0.00 52.55 47.99 2aby s ASP 44 Cb -0.11 -0.66 0.03 0.00 -1.09 0.00 0.00 42.92 41.08 2aby s ASP 44 CO 0.02 -0.37 0.38 -0.22 0.70 0.00 0.00 175.17 175.68 2aby s LEU 45 N 1.80 0.54 -1.45 2.11 1.98 -0.43 -4.91 118.68 118.32 2aby s LEU 45 Ca 0.05 -0.14 -0.02 0.00 -2.89 0.00 0.00 54.13 51.13 2aby s LEU 45 Cb -0.17 1.65 0.00 0.00 0.66 0.00 0.00 46.19 48.34 2aby s LEU 45 CO -0.20 -0.70 0.25 -1.22 -1.89 0.00 0.00 176.35 172.60 2aby n TYR 46 N 0.33 -1.27 -0.93 5.38 4.01 -1.26 -1.44 117.16 121.99 2aby n TYR 46 Ca -0.18 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2aby n TYR 46 Cb 0.61 -3.80 0.00 0.00 -0.31 0.00 0.00 39.34 35.83 2aby n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aby n GLY 47 N -1.21 0.23 2.99 2.72 0.00 -1.26 -4.96 105.19 103.70 2aby n GLY 47 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2aby n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aby s GLN 48 N -1.10 1.12 -0.15 1.61 -1.52 -0.52 -5.14 119.66 113.97 2aby s GLN 48 Ca 0.00 -0.30 -0.04 0.00 -1.95 0.00 0.00 55.36 53.07 2aby s GLN 48 Cb 0.00 -1.02 -0.03 0.00 -0.22 0.00 0.00 33.01 31.74 2aby s GLN 48 CO 0.00 0.06 -0.03 -1.59 -0.25 0.00 0.00 175.29 173.48 2aby s LYS 49 N 0.42 3.63 0.10 2.91 0.00 -1.26 -1.31 119.74 124.23 2aby s LYS 49 Ca -0.07 -0.50 0.07 0.00 0.00 0.00 0.00 55.97 55.47 2aby s LYS 49 Cb -0.11 -2.92 -0.03 0.00 0.00 0.00 0.00 37.83 34.77 2aby s LYS 49 CO 0.01 0.29 -0.18 0.71 0.00 0.00 0.00 175.35 176.18 2aby s TYR 50 N 0.24 1.56 -0.19 1.78 2.02 0.11 -4.97 117.35 117.90 2aby s TYR 50 Ca -0.02 -0.45 -0.09 0.00 -0.37 0.00 0.00 57.07 56.14 2aby s TYR 50 Cb -0.14 -0.85 -0.05 0.00 -0.40 0.00 0.00 41.96 40.53 2aby s TYR 50 CO 0.03 0.16 0.11 -0.06 -1.57 0.00 0.00 175.55 174.22 2aby s PHE 51 N -1.38 3.38 -0.02 2.71 0.40 -0.42 -0.81 117.98 121.86 2aby s PHE 51 Ca 0.05 0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.69 2aby s PHE 51 Cb -0.09 -2.12 -0.00 0.00 0.51 0.00 0.00 43.02 41.32 2aby s PHE 51 CO 0.04 0.30 -0.10 1.03 0.70 0.00 0.00 175.22 177.18 2aby s ARG 52 N 0.24 0.90 -0.05 0.44 1.81 -0.78 -1.16 118.95 120.35 2aby s ARG 52 Ca 0.07 -0.35 0.06 0.00 -1.72 0.00 0.00 55.73 53.80 2aby s ARG 52 Cb -0.11 -0.86 -0.01 0.00 -0.45 0.00 0.00 34.95 33.52 2aby s ARG 52 CO -0.01 0.18 -0.24 0.96 -0.68 0.00 0.00 175.30 175.51 2aby s ILE 53 N -0.08 1.99 -0.15 1.52 -5.25 -0.39 -1.70 121.20 117.15 2aby s ILE 53 Ca 0.01 -1.04 0.01 0.00 -0.99 0.00 0.00 60.65 58.64 2aby s ILE 53 Cb -0.06 -1.67 -0.00 0.00 2.95 0.00 0.00 42.46 43.68 2aby s ILE 53 CO -0.00 0.56 -0.17 -0.22 -1.79 0.00 0.00 174.94 173.31 2aby s LEU 54 N -0.24 2.39 -0.14 0.37 0.20 -0.44 -1.68 118.68 119.14 2aby s LEU 54 Ca -0.01 -0.49 0.01 0.00 0.69 0.00 0.00 54.13 54.33 2aby s LEU 54 Cb -0.13 -1.53 0.02 0.00 -0.43 0.00 0.00 46.19 44.12 2aby s LEU 54 CO 0.03 0.09 -0.14 0.12 -0.29 0.00 0.00 176.35 176.16 2aby s PHE 55 N 0.75 2.10 0.06 5.38 5.36 -0.56 -0.62 117.98 130.45 2aby s PHE 55 Ca -0.07 -1.13 0.03 0.00 -0.96 0.00 0.00 56.93 54.80 2aby s PHE 55 Cb -0.16 -1.54 -0.03 0.00 -0.34 0.00 0.00 43.02 40.95 2aby s PHE 55 CO 0.01 -0.62 -0.09 -0.65 -1.46 0.00 0.00 175.22 172.41 2aby s GLN 56 N 1.37 0.67 0.58 10.12 -0.21 0.58 -1.26 119.66 131.51 2aby s GLN 56 Ca 0.02 -0.92 0.09 0.00 0.02 0.00 0.00 55.36 54.57 2aby s GLN 56 Cb -0.13 -0.43 0.08 0.00 1.00 0.00 0.00 33.01 33.53 2aby s GLN 56 CO -0.08 0.07 0.74 0.45 -2.12 0.00 0.00 175.29 174.35 2aby s SER 57 N -1.91 5.01 -0.24 5.90 0.15 -1.24 -0.53 113.70 120.84 2aby s SER 57 Ca -0.04 -0.92 -0.15 0.00 0.70 0.00 0.00 55.95 55.54 2aby s SER 57 Cb -0.07 0.35 -0.16 0.00 -1.71 0.00 0.00 66.02 64.43 2aby s SER 57 CO 0.00 -1.33 -0.09 1.17 1.20 0.00 0.00 173.24 174.19 2aby n LYS 58 N -2.19 0.60 0.00 5.44 3.00 -1.26 -4.26 118.16 119.49 2aby n LYS 58 Ca 0.13 0.37 0.13 0.00 -0.00 0.00 0.00 58.31 58.95 2aby n LYS 58 Cb 0.62 -1.60 0.73 0.00 0.00 0.00 0.00 35.03 34.78 2aby n LYS 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2aby n LYS 59 N -4.19 0.57 -1.64 1.64 4.76 -1.26 -4.88 118.16 113.16 2aby n LYS 59 Ca -0.44 0.02 -0.60 0.00 -2.87 0.00 0.00 58.31 54.41 2aby n LYS 59 Cb 0.83 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.44 2aby n LYS 59 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2aby n LEU 60 N -1.18 1.13 -4.66 -0.35 -0.00 -1.25 -4.94 117.00 105.75 2aby n LEU 60 Ca 0.16 1.15 -0.30 0.00 -0.00 0.00 0.00 56.01 57.01 2aby n LEU 60 Cb 0.17 -1.00 -0.08 0.00 -0.00 0.00 0.00 43.42 42.51 2aby n LEU 60 CO 0.19 -1.13 -0.35 -0.44 -0.00 0.00 0.00 177.39 175.66 2aby s SER 61 N 1.75 4.89 0.36 1.45 0.01 -1.26 -5.02 113.70 115.88 2aby s SER 61 Ca 0.96 -0.22 0.16 0.00 1.31 0.00 0.00 55.95 58.15 2aby s SER 61 Cb -1.25 -1.12 0.65 0.00 0.21 0.00 0.00 66.02 64.51 2aby s SER 61 CO 0.65 0.18 1.74 -0.33 0.41 0.00 0.00 173.24 175.89 2aby h GLU 62 N 3.47 0.00 0.00 12.44 3.07 -1.97 -3.45 114.58 128.15 2aby h GLU 62 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2aby h GLU 62 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2aby h GLU 62 CO 0.58 0.43 0.00 1.28 -1.40 0.00 0.00 179.01 179.90 2aby n LEU 63 N -3.73 0.00 -2.75 1.33 4.32 -1.26 -4.82 117.00 110.08 2aby n LEU 63 Ca -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.97 2aby n LEU 63 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 2aby n LEU 63 CO 0.38 -0.47 0.25 1.41 -1.22 0.00 0.00 177.39 177.75 2aby n HIS 64 N -1.45 -2.50 0.15 -1.77 8.25 -1.26 -4.93 115.22 111.71 2aby n HIS 64 Ca 0.00 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 58.42 2aby n HIS 64 Cb 0.00 -3.64 0.26 0.00 1.12 0.00 0.00 29.99 27.73 2aby n HIS 64 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2aby h PRO 65 N 0.54 0.03 -0.42 -0.41 0.13 -1.96 -2.98 132.00 126.93 2aby h PRO 65 Ca 0.00 -0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.22 2aby h PRO 65 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2aby h PRO 65 CO 0.23 0.51 0.30 1.49 -0.23 0.00 0.00 178.00 180.30 2aby h GLU 66 N 0.02 0.06 -0.05 0.86 4.81 -2.01 -0.39 114.58 117.88 2aby h GLU 66 Ca -0.00 -0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 2aby h GLU 66 Cb 0.86 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2aby h GLU 66 CO 0.06 0.04 -0.84 0.93 -0.73 0.00 0.00 179.01 178.47 2aby h GLU 67 N 0.06 0.44 -0.23 1.92 4.39 -1.89 -2.92 114.58 116.36 2aby h GLU 67 Ca 0.20 -0.42 0.05 0.00 0.34 0.00 0.00 59.36 59.53 2aby h GLU 67 Cb 0.70 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 2aby h GLU 67 CO -0.01 1.06 -0.07 0.00 -1.16 0.00 0.00 179.01 178.83 2aby h ARG 68 N 0.28 -0.02 -0.57 2.33 3.08 -1.15 -0.83 114.38 117.50 2aby h ARG 68 Ca -0.06 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2aby h ARG 68 Cb 1.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.48 2aby h ARG 68 CO 0.15 -0.01 0.02 1.57 -1.07 0.00 0.00 179.97 180.63 2aby h LYS 69 N -0.02 0.96 0.08 0.04 2.10 -1.59 -0.79 116.57 117.35 2aby h LYS 69 Ca 0.11 -0.27 0.01 0.00 -2.00 0.00 0.00 60.65 58.50 2aby h LYS 69 Cb 0.19 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.39 2aby h LYS 69 CO -0.25 0.93 -0.15 -0.22 -2.00 0.00 0.00 179.45 177.77 2aby h LYS 70 N 0.89 -0.28 -0.17 0.07 3.64 -1.18 -1.37 116.57 118.17 2aby h LYS 70 Ca 0.17 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 2aby h LYS 70 Cb 0.49 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2aby h LYS 70 CO 0.02 -0.19 -0.33 -0.39 -2.27 0.00 0.00 179.45 176.29 2aby h VAL 71 N -0.29 1.28 0.29 2.00 -1.51 -1.10 -1.07 116.25 115.85 2aby h VAL 71 Ca 0.03 -1.37 -0.01 0.00 -1.23 0.00 0.00 66.70 64.12 2aby h VAL 71 Cb 0.31 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 2aby h VAL 71 CO -0.09 0.42 -0.20 -0.09 -1.23 0.00 0.00 177.57 176.38 2aby h ARG 72 N 0.30 -0.47 -0.30 5.19 9.65 -0.66 0.14 114.38 128.23 2aby h ARG 72 Ca 0.04 0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.79 2aby h ARG 72 Cb 0.73 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 2aby h ARG 72 CO 0.06 -0.31 -0.46 1.05 2.80 0.00 0.00 179.97 183.11 2aby h GLU 73 N -0.49 0.78 0.22 0.20 4.11 -1.24 -0.90 114.58 117.26 2aby h GLU 73 Ca -0.02 -0.44 -0.01 0.00 0.07 0.00 0.00 59.36 58.96 2aby h GLU 73 Cb 0.42 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2aby h GLU 73 CO 0.01 1.07 -0.15 -0.22 0.07 0.00 0.00 179.01 179.79 2aby h LYS 74 N 0.62 -0.35 -0.20 1.06 1.63 -1.02 -1.08 116.57 117.24 2aby h LYS 74 Ca 0.04 0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.75 2aby h LYS 74 Cb 1.03 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.72 2aby h LYS 74 CO 0.10 -0.24 -0.35 0.27 -3.45 0.00 0.00 179.45 175.78 2aby h PHE 75 N -0.37 0.48 -0.16 1.91 -5.15 -0.75 -1.62 116.94 111.28 2aby h PHE 75 Ca -0.02 -0.12 0.01 0.00 -0.20 0.00 0.00 57.97 57.64 2aby h PHE 75 Cb 0.31 -0.11 -0.01 0.00 0.22 0.00 0.00 35.95 36.36 2aby h PHE 75 CO -0.10 0.72 0.08 -0.44 -2.00 0.00 0.00 178.31 176.58 2aby h ASP 76 N 0.36 0.12 -0.06 -0.68 3.32 -0.85 -0.60 116.42 118.02 2aby h ASP 76 Ca 0.04 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2aby h ASP 76 Cb 0.79 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 2aby h ASP 76 CO 0.06 0.10 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.28 2aby h GLU 77 N 0.18 0.16 -0.99 3.56 4.39 -1.14 -1.03 114.58 119.70 2aby h GLU 77 Ca 0.07 -0.09 0.17 0.00 0.34 0.00 0.00 59.36 59.85 2aby h GLU 77 Cb 0.01 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.57 2aby h GLU 77 CO -0.04 0.62 0.62 -0.97 -1.16 0.00 0.00 179.01 178.07 2aby h ASN 78 N -0.29 0.79 0.00 1.42 -0.73 -1.21 0.44 115.58 116.00 2aby h ASN 78 Ca 0.01 0.08 -0.16 0.00 1.87 0.00 0.00 56.30 58.10 2aby h ASN 78 Cb 0.59 -0.07 0.01 0.00 0.27 0.00 0.00 38.32 39.13 2aby h ASN 78 CO 0.02 0.32 -0.62 0.77 -0.37 0.00 0.00 177.43 177.55 2aby h SER 79 N 0.79 0.54 0.48 1.15 4.64 -1.07 -3.13 113.55 116.95 2aby h SER 79 Ca 0.54 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2aby h SER 79 Cb 0.82 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2aby h SER 79 CO -0.33 1.23 0.00 -2.11 -0.87 0.00 0.00 176.83 174.76 2aby n ARG 80 N -4.21 0.07 -1.36 4.77 -4.01 -0.40 -4.86 116.66 106.67 2aby n ARG 80 Ca -0.10 0.20 -0.42 0.00 -1.04 0.00 0.00 57.85 56.49 2aby n ARG 80 Cb 0.68 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.60 2aby n ARG 80 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 2aby n MET 81 N -1.44 0.20 -0.98 2.89 2.81 0.14 -4.84 117.12 115.90 2aby n MET 81 Ca 0.05 0.07 -0.34 0.00 -1.81 0.00 0.00 57.70 55.67 2aby n MET 81 Cb 0.17 -1.18 0.10 0.00 -0.71 0.00 0.00 33.22 31.60 2aby n MET 81 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2aby n GLN 82 N 1.04 -0.05 -0.02 0.03 6.02 -1.26 -4.62 117.38 118.52 2aby n GLN 82 Ca 0.12 0.03 0.03 0.00 -0.01 0.00 0.00 57.00 57.17 2aby n GLN 82 Cb 0.39 -1.90 0.38 0.00 1.02 0.00 0.00 30.24 30.14 2aby n GLN 82 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2aby h TYR 83 N -1.11 0.56 -0.19 1.08 5.03 -1.97 -0.50 116.97 119.88 2aby h TYR 83 Ca -0.44 0.00 0.05 0.00 2.58 0.00 0.00 58.73 60.92 2aby h TYR 83 Cb 1.30 -0.19 -0.05 0.00 1.55 0.00 0.00 36.73 39.34 2aby h TYR 83 CO 0.38 0.39 -0.16 0.77 -1.32 0.00 0.00 178.16 178.23 2aby h SER 84 N 0.59 -0.50 0.09 -2.11 0.02 -1.99 0.38 113.55 110.05 2aby h SER 84 Ca 0.16 0.10 -0.23 0.00 -0.84 0.00 0.00 61.79 60.98 2aby h SER 84 Cb -0.00 0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.79 2aby h SER 84 CO -0.03 -0.20 -0.88 -0.08 -1.14 0.00 0.00 176.83 174.50 2aby h GLU 85 N -0.17 0.60 -0.81 3.45 4.57 -1.83 -0.42 114.58 119.97 2aby h GLU 85 Ca 0.11 -0.56 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2aby h GLU 85 Cb 0.34 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 2aby h GLU 85 CO -0.29 1.18 0.51 1.25 -1.18 0.00 0.00 179.01 180.48 2aby h LEU 86 N 0.37 0.95 0.16 1.64 7.12 -0.67 0.23 115.31 125.11 2aby h LEU 86 Ca -0.08 -0.04 -0.32 0.00 0.13 0.00 0.00 57.88 57.57 2aby h LEU 86 Cb 1.51 -0.24 0.01 0.00 -0.53 0.00 0.00 40.66 41.41 2aby h LEU 86 CO 0.17 0.71 -1.54 0.24 -0.13 0.00 0.00 178.44 177.89 2aby h MET 87 N 1.10 0.34 -0.05 1.25 2.86 -0.26 -3.19 114.93 116.98 2aby h MET 87 Ca 0.29 -0.57 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 2aby h MET 87 Cb -0.08 0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2aby h MET 87 CO -0.06 1.23 0.01 1.15 1.06 0.00 0.00 176.91 180.30 2aby h THR 88 N 0.09 1.21 0.00 2.22 2.02 -0.80 0.29 112.91 117.95 2aby h THR 88 Ca -0.26 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.29 2aby h THR 88 Cb 2.06 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 2aby h THR 88 CO 0.19 0.17 0.00 1.17 0.37 0.00 0.00 175.52 177.42 2aby n LYS 89 N -4.91 0.08 -0.13 6.66 3.00 0.78 0.35 118.16 123.98 2aby n LYS 89 Ca -0.07 0.23 -0.25 0.00 -0.00 0.00 0.00 58.31 58.22 2aby n LYS 89 Cb 0.16 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 33.58 2aby n LYS 89 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2aby n TYR 90 N -1.41 0.05 -0.09 5.64 9.36 -0.90 -4.24 117.16 125.58 2aby n TYR 90 Ca 0.04 0.02 -0.12 0.00 3.32 0.00 0.00 57.90 61.16 2aby n TYR 90 Cb 0.13 -1.01 -0.05 0.00 -0.63 0.00 0.00 39.34 37.78 2aby n TYR 90 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2aby n HIS 91 N -3.87 0.68 0.34 2.98 -0.00 0.97 -4.21 115.22 112.11 2aby n HIS 91 Ca -0.51 0.30 0.17 0.00 0.46 0.00 0.00 57.72 58.14 2aby n HIS 91 Cb 0.92 -0.82 0.89 0.00 -0.12 0.00 0.00 29.99 30.86 2aby n HIS 91 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 2aby h ASP 92 N -1.00 0.00 0.37 0.26 3.58 -0.24 0.28 116.42 119.68 2aby h ASP 92 Ca -0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2aby h ASP 92 Cb 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2aby h ASP 92 CO -0.09 0.00 0.00 -0.11 -2.88 0.00 0.00 179.24 176.16 2aby n LEU 93 N -2.92 0.00 0.29 2.28 0.00 -1.01 -2.64 117.00 112.99 2aby n LEU 93 Ca -0.02 0.44 0.19 0.00 0.00 0.00 0.00 56.01 56.62 2aby n LEU 93 Cb 0.33 -0.44 1.01 0.00 0.00 0.00 0.00 43.42 44.31 2aby n LEU 93 CO 0.15 -0.26 1.08 0.07 0.00 0.00 0.00 177.39 178.42 2aby h LYS 94 N 0.00 0.00 -0.01 1.96 2.10 -0.54 0.28 116.57 120.36 2aby h LYS 94 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2aby h LYS 94 Cb 0.19 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.48 2aby h LYS 94 CO 0.00 0.00 -0.39 -0.22 -2.00 0.00 0.00 179.45 176.84 2aby h LYS 95 N 0.00 -0.47 0.00 0.07 3.11 -1.75 -3.39 116.57 114.15 2aby h LYS 95 Ca 0.00 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2aby h LYS 95 Cb 0.04 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2aby h LYS 95 CO 0.00 -0.31 -0.85 1.04 -2.81 0.00 0.00 179.45 176.52 2aby n GLN 96 N -4.64 3.37 -2.46 1.90 6.02 -1.14 -5.08 117.38 115.36 2aby n GLN 96 Ca -0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.69 2aby n GLN 96 Cb 0.29 -0.93 0.12 0.00 1.02 0.00 0.00 30.24 30.74 2aby n GLN 96 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2aby s GLY 97 N -2.72 1.76 0.32 1.08 0.00 0.97 -5.12 107.32 103.61 2aby s GLY 97 Ca 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 44.72 43.11 2aby s GLY 97 CO 0.00 -1.00 0.47 0.58 0.00 0.00 0.00 173.10 173.15 2aby n LYS 98 N -2.98 0.68 -3.83 2.90 -0.00 -1.26 -3.89 118.16 109.78 2aby n LYS 98 Ca 0.14 -2.38 -0.12 0.00 -0.00 0.00 0.00 58.31 55.95 2aby n LYS 98 Cb 0.60 2.38 -0.11 0.00 -0.00 0.00 0.00 35.03 37.91 2aby n LYS 98 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2aby s ILE 99 N -2.68 0.04 0.13 0.58 -1.16 -1.26 -4.20 121.20 112.64 2aby s ILE 99 Ca 0.24 -0.30 0.09 0.00 -0.51 0.00 0.00 60.65 60.16 2aby s ILE 99 Cb -0.01 -0.35 -0.04 0.00 0.61 0.00 0.00 42.46 42.67 2aby s ILE 99 CO 0.17 -0.17 -0.22 -0.54 -2.81 0.00 0.00 174.94 171.37 2aby s LYS 100 N -0.57 1.23 -0.68 3.50 1.02 -1.26 -5.01 119.74 117.97 2aby s LYS 100 Ca -0.07 -1.27 0.04 0.00 0.02 0.00 0.00 55.97 54.70 2aby s LYS 100 Cb -0.04 -1.51 0.16 0.00 -0.52 0.00 0.00 37.83 35.92 2aby s LYS 100 CO 0.01 0.34 0.46 0.16 -0.92 0.00 0.00 175.35 175.41 2aby s ASP 101 N -2.13 4.81 0.74 2.83 -4.77 -1.26 -4.70 116.67 112.20 2aby s ASP 101 Ca 0.11 -3.64 -0.11 0.00 -3.30 0.00 0.00 52.55 45.61 2aby s ASP 101 Cb -0.09 -1.66 0.04 0.00 -1.09 0.00 0.00 42.92 40.11 2aby s ASP 101 CO 0.05 -0.13 1.08 -0.13 0.70 0.00 0.00 175.17 176.74 2aby s ARG 102 N -1.16 2.54 0.31 2.11 0.52 -1.26 -5.00 118.95 117.02 2aby s ARG 102 Ca 0.23 1.03 -0.29 0.00 -0.52 0.00 0.00 55.73 56.18 2aby s ARG 102 Cb -0.10 -1.94 -0.10 0.00 0.52 0.00 0.00 34.95 33.33 2aby s ARG 102 CO -0.12 -1.40 1.23 -1.25 0.02 0.00 0.00 175.30 173.77 2aby s PRO 103 N -4.98 4.46 0.15 3.54 0.04 -1.26 -5.00 135.00 131.94 2aby s PRO 103 Ca 0.60 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.40 2aby s PRO 103 Cb -0.16 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 2aby s PRO 103 CO 0.55 -0.04 0.94 0.54 0.04 0.00 0.00 177.00 179.04 2aby s VAL 104 N -1.15 4.37 0.08 -0.36 0.11 -1.26 -4.83 120.40 117.36 2aby s VAL 104 Ca 0.47 2.06 -0.21 0.00 -2.93 0.00 0.00 61.98 61.37 2aby s VAL 104 Cb -0.37 -4.32 -0.07 0.00 -1.53 0.00 0.00 36.38 30.10 2aby s VAL 104 CO 0.48 0.38 0.64 -0.54 -3.33 0.00 0.00 175.10 172.73 2aby s LYS 105 N -0.39 4.33 0.23 1.54 3.01 -0.71 -4.78 119.74 122.96 2aby s LYS 105 Ca 0.45 0.86 -0.30 0.00 -1.01 0.00 0.00 55.97 55.97 2aby s LYS 105 Cb -0.24 -3.27 -0.09 0.00 -1.01 0.00 0.00 37.83 33.22 2aby s LYS 105 CO 0.30 0.55 1.08 -1.21 0.51 0.00 0.00 175.35 176.58 2aby s GLU 106 N -0.88 4.65 -0.06 1.68 2.02 -1.26 0.41 118.70 125.26 2aby s GLU 106 Ca 0.32 1.72 0.00 0.00 0.02 0.00 0.00 54.97 57.03 2aby s GLU 106 Cb -0.20 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2aby s GLU 106 CO 0.21 0.20 -0.05 0.08 0.02 0.00 0.00 175.26 175.71 2aby s VAL 107 N -0.76 3.87 0.46 2.63 1.01 -0.21 -4.86 120.40 122.54 2aby s VAL 107 Ca 0.46 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2aby s VAL 107 Cb -0.30 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2aby s VAL 107 CO 0.37 0.57 0.03 -1.00 0.00 0.00 0.00 175.10 175.08 2aby s HIS 108 N -0.86 1.97 -0.24 5.22 3.76 -1.26 -4.15 115.29 119.74 2aby s HIS 108 Ca 0.13 -0.97 -0.29 0.00 -0.15 0.00 0.00 55.06 53.78 2aby s HIS 108 Cb -0.11 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.06 2aby s HIS 108 CO 0.03 0.14 1.09 -1.21 -0.85 0.00 0.00 174.74 173.94 2aby s GLU 109 N -3.81 4.21 0.00 1.40 0.41 -1.26 -4.92 118.70 114.73 2aby s GLU 109 Ca 0.17 1.36 0.00 0.00 -0.41 0.00 0.00 54.97 56.09 2aby s GLU 109 Cb 0.04 -3.69 0.00 0.00 -1.78 0.00 0.00 34.13 28.70 2aby s GLU 109 CO 0.09 -0.71 0.00 0.39 -0.49 0.00 0.00 175.26 174.54 2aby n GLU 110 N 6.50 -1.26 -3.93 1.61 1.02 -1.26 -5.09 120.64 118.23 2aby n GLU 110 Ca 0.12 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.95 2aby n GLU 110 Cb 0.46 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.74 2aby n GLU 110 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2aby s TYR 111 N -3.00 3.28 0.02 -0.32 2.02 -1.26 -4.88 117.35 113.21 2aby s TYR 111 Ca 0.00 -3.10 0.00 0.00 -0.37 0.00 0.00 57.07 53.60 2aby s TYR 111 Cb 0.00 -2.88 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 2aby s TYR 111 CO 0.00 -0.78 0.00 -3.47 -1.57 0.00 0.00 175.55 169.73 2aby n ASP 112 N 3.30 0.03 -3.12 2.29 -0.08 -1.26 -5.11 116.55 112.60 2aby n ASP 112 Ca 0.05 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2aby n ASP 112 Cb 0.34 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.81 2aby n ASP 112 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2aby n LEU 113 N -2.58 0.00 -0.23 -2.67 -0.00 -1.26 -4.89 117.00 105.37 2aby n LEU 113 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 2aby n LEU 113 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 2aby n LEU 113 CO 0.00 -1.37 0.98 -0.50 -0.00 0.00 0.00 177.39 176.50 2aby h TRP 114 N -1.87 1.01 -6.49 1.47 -0.00 -2.00 -3.47 115.95 104.60 2aby h TRP 114 Ca 0.00 -0.09 -0.43 0.00 -0.00 0.00 0.00 58.89 58.37 2aby h TRP 114 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 29.16 28.87 2aby h TRP 114 CO 0.00 0.81 -0.99 -0.85 -0.00 0.00 0.00 178.44 177.41 2aby n GLU 115 N -4.39 -1.39 0.01 0.49 0.28 -1.26 -4.64 120.64 109.74 2aby n GLU 115 Ca 0.04 0.71 0.00 0.00 -0.16 0.00 0.00 57.16 57.75 2aby n GLU 115 Cb 0.19 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 31.16 2aby n GLU 115 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2aby n ASP 116 N -2.00 -0.15 0.03 -1.84 2.03 -1.26 -4.93 116.55 108.42 2aby n ASP 116 Ca -0.26 0.49 -0.13 0.00 0.52 0.00 0.00 54.79 55.41 2aby n ASP 116 Cb 0.61 0.59 -0.09 0.00 -0.72 0.00 0.00 41.12 41.51 2aby n ASP 116 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aby h PRO 117 N 0.00 -0.10 0.00 -0.67 0.13 -1.86 -2.56 132.00 126.94 2aby h PRO 117 Ca 0.00 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 2aby h PRO 117 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 2aby h PRO 117 CO 0.00 0.35 -0.33 -0.84 -0.23 0.00 0.00 178.00 176.95 2aby h ILE 118 N -0.59 0.72 0.00 -3.56 -2.65 -1.87 -0.71 117.51 108.84 2aby h ILE 118 Ca -0.01 -1.51 -0.12 0.00 1.03 0.00 0.00 64.86 64.25 2aby h ILE 118 Cb 0.50 1.98 -0.02 0.00 -2.05 0.00 0.00 36.82 37.23 2aby h ILE 118 CO 0.02 0.33 -0.58 -0.25 0.03 0.00 0.00 178.15 177.70 2aby h TRP 119 N 0.00 0.00 0.00 0.16 7.01 -1.91 -3.40 115.95 117.81 2aby h TRP 119 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2aby h TRP 119 Cb 0.95 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.01 2aby h TRP 119 CO 0.00 0.58 0.00 1.04 -2.79 0.00 0.00 178.44 177.27 2aby n GLN 120 N -3.77 0.00 -3.49 2.65 1.13 -0.97 -5.00 117.38 107.94 2aby n GLN 120 Ca -0.01 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.91 2aby n GLN 120 Cb 0.60 -0.26 -0.04 0.00 0.11 0.00 0.00 30.24 30.64 2aby n GLN 120 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2aby s TYR 121 N -0.54 -0.54 -1.29 1.08 2.02 -0.28 -5.09 117.35 112.70 2aby s TYR 121 Ca 0.00 0.65 0.00 0.00 -0.37 0.00 0.00 57.07 57.35 2aby s TYR 121 Cb 0.00 0.49 0.00 0.00 -0.40 0.00 0.00 41.96 42.05 2aby s TYR 121 CO 0.00 -0.67 0.32 0.44 -1.57 0.00 0.00 175.55 174.08